Mol:LBF18207HO05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -4.7188 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4869 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8411 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 4 0 0 0 5 7 1 4 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 8 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 S SKP 5 ID LBF18207HO05 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCC(O)C=CC=CC(O)CCCCCCCC(O)=O M END